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Command: HKL_SEGREGATE

hkl_segregate <HKL file name> [< HKL prototype name>]

Once you have a proper HKL format file you may wish to segregate it into a test and working set. The command hkl_segregate performs that task. If you issue the command giving only the name of you HKL file two new files will be created, one containing 10% of the data and the other containing the rest. The second argument can be used to name a test set that you want to match. When refining a crystal which is isomorphous to some previous project you will want to use the same reflections in the new test as as the old.
 


Dale Edwin Tronrud

Wed Jul 5 13:21:03 PDT 2000